3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
44 46 0 1 0 0 0 0 0999 V2000
-2.6283 -2.2940 0.1974 F 0 0 0 0 0 0 0 0 0 0 0 0
3.4286 1.2275 0.7234 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0445 -0.0776 -0.3227 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7506 2.7193 0.4031 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6440 -1.8714 -0.0715 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3436 0.3910 0.5085 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2374 -0.0439 -0.1866 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5142 -0.0068 -0.8834 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5796 -0.1951 0.6185 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1807 -0.7368 0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0262 -0.6537 0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9517 0.9477 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0653 0.2805 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1609 -0.5282 -0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8535 0.0618 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3618 -1.1406 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2924 0.3767 -1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1070 1.5553 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6740 -0.9743 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8366 1.4271 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0540 -1.0827 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2166 1.3189 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6316 -0.7320 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9017 0.0314 -0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2480 -0.5405 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9860 -1.6029 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0128 -1.0033 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2000 0.1056 1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5108 -1.4960 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3727 1.2254 -1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1246 1.8484 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5755 -0.0699 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1853 -1.6120 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2261 -1.9782 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9988 -1.4886 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8774 1.1512 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1571 -0.4515 -2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 -1.8930 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4299 2.4290 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7873 2.2348 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6233 0.9339 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7513 -0.5071 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0498 0.1343 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8487 1.0234 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 9 1 0 0 0 0
2 18 1 0 0 0 0
3 16 1 0 0 0 0
3 17 1 0 0 0 0
4 18 2 0 0 0 0
5 23 2 0 0 0 0
6 10 1 0 0 0 0
6 13 1 0 0 0 0
6 18 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 15 1 0 0 0 0
8 14 1 0 0 0 0
8 23 1 0 0 0 0
8 41 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
9 25 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 16 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 17 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 19 2 0 0 0 0
13 20 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 21 2 0 0 0 0
15 22 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
19 21 1 0 0 0 0
19 38 1 0 0 0 0
20 22 2 0 0 0 0
20 39 1 0 0 0 0
22 40 1 0 0 0 0
23 24 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
4.2 InChl
InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)
4.3 InChlKey
TYZROVQLWOKYKF-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
4.5 lsomeric SMILES
-
4.6 SDF文件
5. 波谱数据
5.1 13C核磁共振谱(13C NMR)
5.2 1H核磁共振谱(1H NMR)
5.3 质谱(MS)
5.4 红外光谱(IR)
5.5 紫外/可见光谱(UV/Vis)
6. 相关药材
7. 相关靶点
8. 相关疾病
